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- 11 of 11 defined stereocentres
N-Acetyl-3-(2-naphthyl)-L-alanyl-4-chloro-L-phenylalanyl-3-(3-pyridinyl)-L-alanyl-D-seryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-D-phenylalanyl-4-(carbamoylamino)-L-phenylalanyl-D- leucyl-N~6~-isopropyl-D-lysyl-D-prolyl-L-alaninamide
CC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC1C=CC(Cl)=CC=1)C(=O)N[C@@H](CC1=CN=CC=C1)C(=O)N[C@H](CO)C(=O)N[C@H](CC1C=CC(=CC=1)NC(=O)[C@H]1CC(=O)NC(=O)N1)C(=O)N[C@@H](CC1C=CC(=CC=1)NC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m0/s1
MEUCPCLKGZSHTA-MXCGOODVSA-N
CSID:114553831, http://www.chemspider.com/Chemical-Structure.114553831.html (accessed 19:18, Apr 27, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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